Ojima:KO009317p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
Z002+ Score:30.76 F014+ Score:10.85 A037+ Score:10.85 B015+ Score:5.72 D082+ Score:5.13 D069+ Score:5.13 D067+ Score:5.13 A020+ Score:5.13 A007+ Score:5.13	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

Links

Page list for each fragment
Pages Related to Peak C10H14N5O:   Z002+   Pages Related to Peak C10H12N5:   Z002+   Pages Related to Peak C10H9N4:   Z002+   Pages Related to Peak C6H6N5:   A037+  B015+  F014+  Z002+   Pages Related to Peak C5H6N5:   A007+  A037+  F014+  Z002+  A020+  D067+  D069+  D082+

Annotations

Precursor-Product Relationship

About the PP Table (行列表示について)
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).	行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。

KO009317p	220 C10H14N5O	202 C10H12N5	185 C10H9N4	148 C6H6N5	136 C5H6N5
220 C10H14N5O
202 C10H12N5	H2O
185 C10H9N4	H5NO	H3N
148 C6H6N5	C4H8O	C4H6
136 C5H6N5	C5H8O	C5H6		C

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